Trimethylsilyl(trimethylsiloxy)acetate

• CAS: 33581-77-0
• Catalog Number: ACM33581770
• Category: Siloxanes
• Molecular Weight: 220.41
• Molecular Formula: C₈H₂₀O₃Si₂
• Synonyms: 276189_ALDRICH, MolPort-003-929-001, Trimethylsilyl trimethylsiloxyacetate, EINECS 251-580-9, CID118503, Trimethylsilyl ((trimethylsilyl)oxy)acetate, Acetic acid, [(trimethylsilyl)oxy]-, trimethylsilyl ester, Acetic acid, (trimethylsiloxy)-, trimethylsilyl ester, 33581-77-0
• IUPAC Name: trimethylsilyl 2-trimethylsilyloxyacetate
• Canonical SMILES: C[Si](C)(C)OCC(=O)O[Si](C)(C)C
• InChI Key: MAEQOWMWOCEXKP-UHFFFAOYSA-N
• Boiling Point: 82-83ºC15 mm Hg
• Flash Point: 110 °F
• Density: 0.903 g/mL at 25ºC(lit.)
• Appearance: Transparent liquid
• EC Number: 251-580-9
• Exact Mass: 220.09500
• Hazard Statements: Xi: Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Packing Group: III
• Safety Description: 26-36

Custom Q&A

What is the IUPAC name of the compound?

The IUPAC name of the compound is trimethylsilyl 2-trimethylsilyloxyacetate.

What is the molecular formula of the compound?

The molecular formula of the compound is C8H20O3Si2.

What is the molecular weight of the compound?

The molecular weight of the compound is 220.41 g/mol.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C8H20O3Si2/c1-12(2,3)10-7-8(9)11-13(4,5)6/h7H2,1-6H3.

What is the InChIKey of the compound?

The InChIKey of the compound is MAEQOWMWOCEXKP-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is C[Si](C)(C)OCC(=O)O[Si](C)(C)C.

What is the CAS number of the compound?

The CAS number of the compound is 33581-77-0.

What is the UNII of the compound?

The UNII of the compound is WY41M9TKT0.

How many hydrogen bond donor counts does the compound have?

The compound does not have any hydrogen bond donor count.

How many rotatable bond counts does the compound have?

The compound has 5 rotatable bond counts.

Synthetic Use

Upstream Synthesis Route 1

• 79-14-1
• 25561-30-2

• 354-38-1
• 33581-77-0
• 55982-15-5

Reference: [1] Environmental Science and Technology, 1998, vol. 32, # 16, p. 2357 - 2370

Upstream Synthesis Route 2

• 75-77-4
• 79-14-1

• 33581-77-0

Reference: [1]Current Patent Assignee: STATE UNIVERSITY SYSTEM OF FLORIDA; TAXOLOG INC - US2006/281914, 2006, A1
Location in patent: Page/Page column 10
[2]Wissner,A.
[Journal of Organic Chemistry, 1979, vol. 44, # 25, p. 4617 - 4622]
[3]Spletstoser, Jared T.; Flaherty, Patrick T.; Himes, Richard H.; Georg, Gunda I.
[Journal of Medicinal Chemistry, 2004, vol. 47, # 26, p. 6459 - 6465]
[4]Current Patent Assignee: STATE UNIVERSITY SYSTEM OF FLORIDA; TAXOLOG INC - US2006/281914, 2006, A1
Location in patent: Page/Page column 7-8

Upstream Synthesis Route 3

• 79-14-1
• 999-97-3

• 33581-77-0

Reference: [1]Schraml,J. et al.
[Collection of Czechoslovak Chemical Communications, 1977, vol. 42, p. 1165 - 1169]

Downstream Synthesis Route 1

• 75-77-4
• 33581-77-0

• 69097-20-7

Reference: [1]Wissner,A.
[Journal of Organic Chemistry, 1979, vol. 44, # 25, p. 4617 - 4622]
[2]Plażuk, Damian; Wieczorek, Anna; Ciszewski, Wojciech M.; Kowalczyk, Karolina; Błauż, Andrzej; Pawlędzio, Sylwia; Makal, Anna; Eurtivong, Chatchakorn; Arabshahi, Homayon J.; Reynisson, Jóhannes; Hartinger, Christian G.; Rychlik, Błażej
[ChemMedChem, 2017, vol. 12, # 22, p. 1882 - 1892]

* For details of the synthesis route, please refer to the original source to ensure accuracy.